6-chloro-N-(4-phenylmethoxyphenyl)-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyridin-2-amine

C25H19ClN4O — CID 87191610

IUPAC6-chloro-N-(4-phenylmethoxyphenyl)-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyridin-2-amine
SMILESClc1cc(-c2c[nH]c3ncccc23)cc(Nc2ccc(OCc3ccccc3)cc2)n1
InChIInChI=1S/C25H19ClN4O/c26-23-13-18(22-15-28-25-21(22)7-4-12-27-25)14-24(30-23)29-19-8-10-20(11-9-19)31-16-17-5-2-1-3-6-17/h1-15H,16H2,(H,27,28)(H,29,30)
InChIKeySLYIMKLBTBIYRK-UHFFFAOYSA-N
MW426.91 g/mol
LogP6.60
Rot. Bonds6

About 6-chloro-N-(4-phenylmethoxyphenyl)-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyridin-2-amine

6-chloro-N-(4-phenylmethoxyphenyl)-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyridin-2-amine (PubChem CID 87191610) has the molecular formula C25H19ClN4O and a molecular weight of 426.91 g/mol. Its IUPAC name is 6-chloro-N-(4-phenylmethoxyphenyl)-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyridin-2-amine.

Molecular Properties

Compound Name6-chloro-N-(4-phenylmethoxyphenyl)-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyridin-2-amine
PubChem CID87191610
Molecular FormulaC25H19ClN4O
Molecular Weight426.91 g/mol
Exact Mass426.12
IUPAC Name6-chloro-N-(4-phenylmethoxyphenyl)-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyridin-2-amine
SMILESClc1cc(-c2c[nH]c3ncccc23)cc(Nc2ccc(OCc3ccccc3)cc2)n1
InChIInChI=1S/C25H19ClN4O/c26-23-13-18(22-15-28-25-21(22)7-4-12-27-25)14-24(30-23)29-19-8-10-20(11-9-19)31-16-17-5-2-1-3-6-17/h1-15H,16H2,(H,27,28)(H,29,30)
InChIKeySLYIMKLBTBIYRK-UHFFFAOYSA-N
XLogP6.60
TPSA62.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.91
LogP ≤ 56.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(4-phenylmethoxyphenyl)-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyridin-2-amine?
The IUPAC name of 6-chloro-N-(4-phenylmethoxyphenyl)-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyridin-2-amine (CID 87191610) is 6-chloro-N-(4-phenylmethoxyphenyl)-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyridin-2-amine.
What is the SMILES notation for 6-chloro-N-(4-phenylmethoxyphenyl)-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyridin-2-amine?
The canonical SMILES for 6-chloro-N-(4-phenylmethoxyphenyl)-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyridin-2-amine is Clc1cc(-c2c[nH]c3ncccc23)cc(Nc2ccc(OCc3ccccc3)cc2)n1.
What is the InChIKey of 6-chloro-N-(4-phenylmethoxyphenyl)-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyridin-2-amine?
The InChIKey is SLYIMKLBTBIYRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19ClN4O/c26-23-13-18(22-15-28-25-21(22)7-4-12-27-25)14-24(30-23)29-19-8-10-20(11-9-19)31-16-17-5-2-1-3-6-17/h1-15H,16H2,(H,27,28)(H,29,30).
What are the key properties of 6-chloro-N-(4-phenylmethoxyphenyl)-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyridin-2-amine?
6-chloro-N-(4-phenylmethoxyphenyl)-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyridin-2-amine has a molecular weight of 426.91 g/mol, XLogP of 6.60, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(4-phenylmethoxyphenyl)-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyridin-2-amine is sourced from PubChem (CID 87191610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).